| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 16th, 2008 | 31 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -5.29 | -4.3 | -99.26 | 5 | 13 | -1 | 196 | 449.481 | 10 | ↓ |
| Mid Mid (pH 6-8) | -5.29 | -5.48 | -111.47 | 5 | 13 | -1 | 196 | 449.481 | 10 | ↓ |
| Lo Low (pH 4.5-6) | -5.29 | -2.59 | -110.76 | 6 | 13 | 0 | 198 | 450.489 | 10 | ↓ |
| Lo Low (pH 4.5-6) | -5.29 | -4.84 | -119.74 | 5 | 13 | -1 | 196 | 449.481 | 10 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 3.52e+01 g/l | DrugBank-approved |
